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3-(2-Oxo-2H-coumarin-4-yl)-2-phenyl-1,3-thiazinan-4-one
SpectraBase Compound ID 2UF7dBKVXiy
InChI InChI=1S/C19H15NO3S/c21-17-10-11-24-19(13-6-2-1-3-7-13)20(17)15-12-18(22)23-16-9-5-4-8-14(15)16/h1-9,12,19H,10-11H2
InChIKey YQBFVLQWOHAXDI-UHFFFAOYSA-N
Mol Weight 337.39 g/mol
Molecular Formula C19H15NO3S
Exact Mass 337.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QV26hM9ld2
Name 3-(2-Oxo-2H-coumarin-4-yl)-2-phenyl-1,3-thiazinan-4-one
Appearance White crystals
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Formula C19H15NO3S
InChI InChI=1S/C19H15NO3S/c21-17-10-11-24-19(13-6-2-1-3-7-13)20(17)15-12-18(22)23-16-9-5-4-8-14(15)16/h1-9,12,19H,10-11H2
InChIKey YQBFVLQWOHAXDI-UHFFFAOYSA-N
Instrument Name Kratos & Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2367
Molecular Weight 337.393 g/mol
SMILES c1ccc2OC(=O)C=C(N3C(=O)CCSC3c3ccccc3)c2c1
SPLASH splash10-0a4i-5191000000-711c292ba8ee6d8fcb46
Source of Spectrum Y-53-1322-11
Thin-Layer Chromatography Rf = 0.3 (pet.ether(60-80)/ethyl acetate, 4:1)
Wiley ID 1876494